Subject: TD-DFT excitation energies

From: Piche Michelle <[email-masked]>
Date: Sat, 20 Mar 1999 16:00:13 -0500 (EST)

Here is a list of our recent publications regarding TD-DFT as a means
for obtaining excitation energies :

M.E. Casida, K.C. Casida, and D.R. Salahub, Int. J. Quant. Chem. 70, 
933 (1998). (International Journal of Quantum Chemistry, Quantum
Chemistry Symposium No. 32, Proceedings of the International Symposium 
on Atomic, Molecular, and Condensed Matter Theory) 
"Excited-state potential energy curves from time-dependent 
density-functional theory: A cross-section of formaldehyde's 1A1 manifold"

M.E. Casida, C. Jamorski, K.C. Casida, and D.R. Salahub, J. Chem. Phys. 
108, 4439 (1998). 
"Molecular excitation energies to high-lying bound states from time-dependent 
density-functional response theory: Characterization and correction of the 
time-dependent local density approximation ionization threshold" 

M.E. Casida, in Recent Developments and Applications of Modern Density 
Functional Theory, edited by J.M. Seminario (Elsevier, Amsterdam, 1996), 
p. 391. 
"Time-Dependent Density Functional Response Theory of Molecular Systems: 
Theory, Computational Methods, and Functionals" 

Christine Jamorski, Mark E. Casida, and Dennis R. Salahub, J. Chem. Phys. 104, 
5134 (1996). 
"Dynamic Polarizabilities and Excitation Spectra from a Molecular 
Implementation of Time-Dependent Density-Functional Response
Theory: N2 as a Case Study" 

M.E. Casida, in Recent Advances in Density Functional Methods, Part I, edited 
by D.P. Chong (Singapore, World Scientific, 1995), p. 155. 
"Time-dependent density-functional response theory for molecules'' 

M.E. Casida, C. Jamorski, F. Bohr, J. Guan, and D.R. Salahub, in Theoretical 
and Computational Modeling of NLO and Electronic Materials, edited by S.P. 
Karna 
and A.T. Yeates (ACS Press: Washington, D.C., 1996), (Proceedings of ACS 
Symposium, Washington, D.C., 1994), p.  145. 
"Optical Properties from Density-Functional Theory" 

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